N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide

C19H21ClIN3O — CID 38917765

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1I
InChIInChI=1S/C19H21ClIN3O/c1-13-4-3-5-15(18(13)21)19(25)22-16-12-14(20)6-7-17(16)24-10-8-23(2)9-11-24/h3-7,12H,8-11H2,1-2H3,(H,22,25)
InChIKeyFYVJZIPIXZBXJX-UHFFFAOYSA-N
MW469.75 g/mol
LogP4.26
Rot. Bonds3

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide (PubChem CID 38917765) has the molecular formula C19H21ClIN3O and a molecular weight of 469.75 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide
PubChem CID38917765
Molecular FormulaC19H21ClIN3O
Molecular Weight469.75 g/mol
Exact Mass469.04
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1I
InChIInChI=1S/C19H21ClIN3O/c1-13-4-3-5-15(18(13)21)19(25)22-16-12-14(20)6-7-17(16)24-10-8-23(2)9-11-24/h3-7,12H,8-11H2,1-2H3,(H,22,25)
InChIKeyFYVJZIPIXZBXJX-UHFFFAOYSA-N
XLogP4.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.75
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 26900822
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 26900785
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285198
4-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 35355020
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 35355077
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16557452
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 6461050
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-nitro-2-phenylsulfanylbenzamide
CID 4876103
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47014200

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide (CID 38917765) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1I.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide?
The InChIKey is FYVJZIPIXZBXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClIN3O/c1-13-4-3-5-15(18(13)21)19(25)22-16-12-14(20)6-7-17(16)24-10-8-23(2)9-11-24/h3-7,12H,8-11H2,1-2H3,(H,22,25).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide has a molecular weight of 469.75 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodo-3-methylbenzamide is sourced from PubChem (CID 38917765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).